| CAS Number | 1189749-75-4 |
| Catalog Number | AG00HEUI(AGN-PC-0WBPF8) |
| Chemical Name | 2-(Cyclopropylamino)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(cyclopropylamino)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C7H8N2O2S/c10-6(11)5-3-12-7(9-5)8-4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11) |
| InChI Key | UDCFYQZUJUDUKW-UHFFFAOYSA-N |
| MDL Number | MFCD13176390 |
| Molecular Formula | C7H8N2O2S |
| Molecular Weight | 184.2156 |
| SMILES | OC(C1N=C(NC2CC2)SC=1)=O |
| Synonyms | 2-(cyclopropylamino)-1,3-thiazole-4-carboxylic acid,
1189749-75-4,
2-(Cyclopropylamino)thiazole-4-carboxylic acid,
UDCFYQZUJUDUKW-UHFFFAOYSA-N,
ALBB-016239,
0687AD,
BBL032302,
MFCD13176390,
STK934159,
ZINC36047686,
AKOS005663568,
MCULE-3151252964,
EN300-82569,
4-thiazolecarboxylic acid, 2-(cyclopropylamino)-,
Z1250132705,
C7H8N2O2S,
T3193,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.213g/mol |
| Monoisotopic Mass | 184.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number